Information card for entry 7150318

Structure parameters

• Formula: C25 H38 N6
• Calculated formula: C25 H38 N6
• Title of publication: Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.
• Authors of publication: Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 246 - 256
• a: 10.9884 ± 0.0009 Å
• b: 11.953 ± 0.001 Å
• c: 12.2879 ± 0.0008 Å
• α: 65.573 ± 0.006°
• β: 79.7 ± 0.006°
• γ: 63.521 ± 0.006°
• Cell volume: 1315.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No